N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide

C16H17BrN2O2 — CID 60961965

IUPACN-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc(O)c(Br)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-3-5-13(19-11(2)20)8-15(10)18-9-12-4-6-16(21)14(17)7-12/h3-8,18,21H,9H2,1-2H3,(H,19,20)
InChIKeyAZNXKOKBEQCKHI-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.03
Rot. Bonds4

About N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide

N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide (PubChem CID 60961965) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
PubChem CID60961965
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc(O)c(Br)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-3-5-13(19-11(2)20)8-15(10)18-9-12-4-6-16(21)14(17)7-12/h3-8,18,21H,9H2,1-2H3,(H,19,20)
InChIKeyAZNXKOKBEQCKHI-UHFFFAOYSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
CID 60960746
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 115876095
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
methyl 4-[(3-bromo-4-hydroxyphenyl)methylamino]benzoate
CID 63044845
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide (CID 60961965) is N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2ccc(O)c(Br)c2)c1.
What is the InChIKey of N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide?
The InChIKey is AZNXKOKBEQCKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-3-5-13(19-11(2)20)8-15(10)18-9-12-4-6-16(21)14(17)7-12/h3-8,18,21H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide?
N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 60961965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).